2-[4-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol

Systemtic Name: 2-[4-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol Openeye Name: 2-[3-(4-nitrophenoxy)-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol CAS Name: 2-[4-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol IUPAC Name: 2-[4-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol Traditional Name: 2-[3-(4-nitrophenoxy)-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC=CC=C4O)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC=CC=C4O)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O4S/c1-18-10-12-19(13-11-18)26-27(34-21-16-14-20(15-17-21)30(32)33)28(22-6-2-4-8-24(22)31)35-25-9-5-3-7-23(25)29-26/h2-17,28-29,31H,1H3